5-bromo-N-[(Z)-[5-(4-iodophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
Formula:C17H11N3O2BrI
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
5-bromo-N-[(Z)-[5-(4-iodophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-[5-(4-iodophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C17H11N3O2BrI |
| Smiles | O=C(c1cncc(Br)c1)N/N=C\c1ccc(-c(cc2)ccc2I)o1 |
| InChI | InChI=1S/C17H11BrIN3O2/c18-13-7-12(8-20-9-13)17(23)22-21-10-15-5-6-16(24-15)11-1-3-14(19)4-2-11/h1-10H,(H,22,23) |
| InChIK | QDHQUOPVBFRCEC-UHFFFAOYSA-N |
| TotalMolweight | 496.097 |
| Molweight | 496.097 |
| MonoisotopicMass | 494.907936 |
| CLogP | 4.3019 |
| CLogS | -6.236 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 280.11 |
| Relative PSA | 0.21809 |
| PolarSurfaceArea | 67.49 |
| Druglikeness | 5.0605 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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